ethyl (E)-3-azanyl-2-(pentanoylamino)-3-thiophen-2-ylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-(pentanoylamino)-3-thiophen-2-ylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(pentanoylamino)-3-(2-thienylsulfanyl)prop-2-enoate CAS Name: (E)-3-amino-2-(1-oxopentylamino)-3-(thiophen-2-ylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(pentanoylamino)-3-thiophen-2-ylsulfanylprop-2-enoate Traditional Name: (E)-3-amino-3-(2-thienylthio)-2-(valerylamino)acrylic acid ethyl ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=C(N)SC1=CC=CS1)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N/C(=C(\N)/SC1=CC=CS1)/C(=O)OCC

InChI

InChI=1S/C14H20N2O3S2/c1-3-5-7-10(17)16-12(14(18)19-4-2)13(15)21-11-8-6-9-20-11/h6,8-9H,3-5,7,15H2,1-2H3,(H,16,17)/b13-12+